(2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide

C18H26N2O3S — CID 97253716

IUPAC(2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H26N2O3S/c1-2-11-20-12-5-8-17(20)18(21)19-24(22,23)16-10-9-14-6-3-4-7-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyPQAXAURCCPOYAP-KRWDZBQOSA-N
MW350.48 g/mol
LogP2.24
Rot. Bonds5

About (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide

(2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 97253716) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID97253716
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESCCCN1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H26N2O3S/c1-2-11-20-12-5-8-17(20)18(21)19-24(22,23)16-10-9-14-6-3-4-7-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyPQAXAURCCPOYAP-KRWDZBQOSA-N
XLogP2.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
CID 97249158
2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 43631170
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pentanoic acid
CID 104934811
N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90609012
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
N-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxamide
CID 50816049
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110429173
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 112991023
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
CID 63846556

Frequently Asked Questions

What is the IUPAC name of (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide (CID 97253716) is (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide is CCCN1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is PQAXAURCCPOYAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-11-20-12-5-8-17(20)18(21)19-24(22,23)16-10-9-14-6-3-4-7-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide?
(2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propyl-N-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 97253716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).