(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine

C19H28N4O3S — CID 96510190

IUPAC(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CC)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1
InChIInChI=1S/C19H28N4O3S/c1-3-22(4-2)17(18-8-7-13-26-18)15-21-19-10-9-16(14-20-19)27(24,25)23-11-5-6-12-23/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyYYXWNTUFOMBUQS-QGZVFWFLSA-N
MW392.53 g/mol
LogP2.95
Rot. Bonds9

About (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine

(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 96510190) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID96510190
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
SMILESCCN(CC)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1
InChIInChI=1S/C19H28N4O3S/c1-3-22(4-2)17(18-8-7-13-26-18)15-21-19-10-9-16(14-20-19)27(24,25)23-11-5-6-12-23/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyYYXWNTUFOMBUQS-QGZVFWFLSA-N
XLogP2.95
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 55346504
3-(furan-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-1-ol
CID 133490659
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-butyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268149
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]acetamide
CID 8567255
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 55346754
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]piperidine-1-sulfonamide
CID 47149015
N-[4-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]phenyl]furan-2-carboxamide
CID 30756951
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
CID 133351262
3-(furan-2-yl)-3-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]propan-1-ol
CID 133490784

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine (CID 96510190) is (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine is CCN(CC)[C@H](CNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccco1.
What is the InChIKey of (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is YYXWNTUFOMBUQS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-3-22(4-2)17(18-8-7-13-26-18)15-21-19-10-9-16(14-20-19)27(24,25)23-11-5-6-12-23/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine?
(1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 392.53 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-diethyl-1-(furan-2-yl)-N'-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 96510190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).