(3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine

C17H26N2O3S — CID 97374863

IUPAC(3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine
SMILESCN(Cc1ccco1)[C@@H]1CCC12CCN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C17H26N2O3S/c1-18(13-14-3-2-12-22-14)16-6-7-17(16)8-10-19(11-9-17)23(20,21)15-4-5-15/h2-3,12,15-16H,4-11,13H2,1H3/t16-/m1/s1
InChIKeyHAHAKPVQQDUXMS-MRXNPFEDSA-N
MW338.47 g/mol
LogP2.45
Rot. Bonds5

About (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine

(3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine (PubChem CID 97374863) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine.

Molecular Properties

Compound Name(3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine
PubChem CID97374863
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine
SMILESCN(Cc1ccco1)[C@@H]1CCC12CCN(S(=O)(=O)C1CC1)CC2
InChIInChI=1S/C17H26N2O3S/c1-18(13-14-3-2-12-22-14)16-6-7-17(16)8-10-19(11-9-17)23(20,21)15-4-5-15/h2-3,12,15-16H,4-11,13H2,1H3/t16-/m1/s1
InChIKeyHAHAKPVQQDUXMS-MRXNPFEDSA-N
XLogP2.45
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-pyridin-4-ylmethanone
CID 97374844
[(3S)-3-[furan-2-ylmethyl(methyl)amino]-7-azaspiro[3.5]nonan-7-yl]-(5-methylfuran-2-yl)methanone
CID 97374851
(3R)-N-(furan-2-ylmethyl)-N-methyl-8-methylsulfonyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97371394
1-[(3R,3aS,7aS)-5-cyclopropylsulfonyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-3-yl]-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 124816780
(5R)-10-cyclopropylsulfonyl-2-(furan-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472187
1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
(3R)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540591
(3S)-N-(furan-2-ylmethyl)-N-methyl-1,1-dioxothiolane-3-sulfonamide
CID 7540593
N-(furan-2-ylmethyl)-N-methylpiperazine-1-sulfonamide
CID 43527042
3-(aminomethyl)-1-cyclopropyl-N-(furan-2-ylmethyl)-N-methylpyrrolidin-3-amine
CID 55140051
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
(3aR,7aS)-4-[furan-2-ylmethyl(methyl)amino]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 133135799

Frequently Asked Questions

What is the IUPAC name of (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine?
The IUPAC name of (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine (CID 97374863) is (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine.
What is the SMILES notation for (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine?
The canonical SMILES for (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine is CN(Cc1ccco1)[C@@H]1CCC12CCN(S(=O)(=O)C1CC1)CC2.
What is the InChIKey of (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine?
The InChIKey is HAHAKPVQQDUXMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-18(13-14-3-2-12-22-14)16-6-7-17(16)8-10-19(11-9-17)23(20,21)15-4-5-15/h2-3,12,15-16H,4-11,13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine?
(3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine has a molecular weight of 338.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-cyclopropylsulfonyl-N-(furan-2-ylmethyl)-N-methyl-7-azaspiro[3.5]nonan-3-amine is sourced from PubChem (CID 97374863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).