N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide

C14H31N3O2S2 — CID 115988619

IUPACN-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCCN1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C14H31N3O2S2/c1-5-9-15-11-14-8-6-7-10-17(14)21(18,19)16(3)13(2)12-20-4/h13-15H,5-12H2,1-4H3
InChIKeyVXMSSSRCQOZTGP-UHFFFAOYSA-N
MW337.56 g/mol
LogP1.77
Rot. Bonds9

About N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide

N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide (PubChem CID 115988619) has the molecular formula C14H31N3O2S2 and a molecular weight of 337.56 g/mol. Its IUPAC name is N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
PubChem CID115988619
Molecular FormulaC14H31N3O2S2
Molecular Weight337.56 g/mol
Exact Mass337.19
IUPAC NameN-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
SMILESCCCNCC1CCCCN1S(=O)(=O)N(C)C(C)CSC
InChIInChI=1S/C14H31N3O2S2/c1-5-9-15-11-14-8-6-7-10-17(14)21(18,19)16(3)13(2)12-20-4/h13-15H,5-12H2,1-4H3
InChIKeyVXMSSSRCQOZTGP-UHFFFAOYSA-N
XLogP1.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.56
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 112667005
N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106083879
N-(4-methylsulfanylbutyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106078101
N-(3,3-dimethylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106079132
N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63880164
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
N-(3-methylcyclopentyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 114551988
N-[[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 83047909
N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63877750
N-(2-methyloxolan-3-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106076225
2-[2-(propylaminomethyl)piperidin-1-yl]propanoic acid
CID 63847846
2-(aminomethyl)-N-(1-methylsulfanylpropan-2-yl)piperidine-1-sulfonamide
CID 106079761

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide (CID 115988619) is N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide is CCCNCC1CCCCN1S(=O)(=O)N(C)C(C)CSC.
What is the InChIKey of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is VXMSSSRCQOZTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S2/c1-5-9-15-11-14-8-6-7-10-17(14)21(18,19)16(3)13(2)12-20-4/h13-15H,5-12H2,1-4H3.
What are the key properties of N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide?
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 337.56 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 115988619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).