N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide

C11H25N3O2S2 — CID 114238612

IUPACN-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
SMILESCSC1CCCN(S(=O)(=O)N(C)CCCN)CC1
InChIInChI=1S/C11H25N3O2S2/c1-13(8-4-7-12)18(15,16)14-9-3-5-11(17-2)6-10-14/h11H,3-10,12H2,1-2H3
InChIKeyIWGMIQWEOYDHPF-UHFFFAOYSA-N
MW295.47 g/mol
LogP0.73
Rot. Bonds6

About N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide

N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide (PubChem CID 114238612) has the molecular formula C11H25N3O2S2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
PubChem CID114238612
Molecular FormulaC11H25N3O2S2
Molecular Weight295.47 g/mol
Exact Mass295.14
IUPAC NameN-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide
SMILESCSC1CCCN(S(=O)(=O)N(C)CCCN)CC1
InChIInChI=1S/C11H25N3O2S2/c1-13(8-4-7-12)18(15,16)14-9-3-5-11(17-2)6-10-14/h11H,3-10,12H2,1-2H3
InChIKeyIWGMIQWEOYDHPF-UHFFFAOYSA-N
XLogP0.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
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N-(3-aminopropyl)-4-(cyclopropylmethyl)-N-methylpiperazine-1-sulfonamide
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N-(3-aminopropyl)-4-hydroxy-N,4-dimethylazepane-1-sulfonamide
CID 107404128
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-4-methylsulfanylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide (CID 114238612) is N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide is CSC1CCCN(S(=O)(=O)N(C)CCCN)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide?
The InChIKey is IWGMIQWEOYDHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S2/c1-13(8-4-7-12)18(15,16)14-9-3-5-11(17-2)6-10-14/h11H,3-10,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide?
N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide has a molecular weight of 295.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-4-methylsulfanylazepane-1-sulfonamide is sourced from PubChem (CID 114238612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).