ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide

C18H39N3O3S — CID 170709349

IUPACethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
SMILESCC.CC(C)NCCCCCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H33N3O3S.C2H6/c1-14(2)17-10-6-4-5-7-11-18-16(20)15-8-12-19(13-9-15)23(3,21)22;1-2/h14-15,17H,4-13H2,1-3H3,(H,18,20);1-2H3
InChIKeySZHBXOXXOISWQA-UHFFFAOYSA-N
MW377.60 g/mol
LogP2.36
Rot. Bonds10

About ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide

ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide (PubChem CID 170709349) has the molecular formula C18H39N3O3S and a molecular weight of 377.60 g/mol. Its IUPAC name is ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
PubChem CID170709349
Molecular FormulaC18H39N3O3S
Molecular Weight377.60 g/mol
Exact Mass377.27
IUPAC Nameethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
SMILESCC.CC(C)NCCCCCCNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H33N3O3S.C2H6/c1-14(2)17-10-6-4-5-7-11-18-16(20)15-8-12-19(13-9-15)23(3,21)22;1-2/h14-15,17H,4-13H2,1-3H3,(H,18,20);1-2H3
InChIKeySZHBXOXXOISWQA-UHFFFAOYSA-N
XLogP2.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.60
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylpropyl)-N-[7-(propan-2-ylamino)heptyl]piperidine-4-carboxamide
CID 155037195
1-methylsulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)piperidine-4-carboxamide
CID 3653413
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835
N-[2-(2,6-dimethylpiperidin-1-ium-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 4690278
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 170709380
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide?
The IUPAC name of ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide (CID 170709349) is ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide.
What is the SMILES notation for ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide?
The canonical SMILES for ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide is CC.CC(C)NCCCCCCNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide?
The InChIKey is SZHBXOXXOISWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3S.C2H6/c1-14(2)17-10-6-4-5-7-11-18-16(20)15-8-12-19(13-9-15)23(3,21)22;1-2/h14-15,17H,4-13H2,1-3H3,(H,18,20);1-2H3.
What are the key properties of ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide?
ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide has a molecular weight of 377.60 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide is sourced from PubChem (CID 170709349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).