1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane

C14H29N3O2S — CID 98757499

IUPAC1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane
SMILESCCN1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C14H29N3O2S/c1-4-15-6-5-7-16(9-8-15)20(18,19)17-11-13(2)10-14(3)12-17/h13-14H,4-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyMYDYOIGQCGZYBR-KBPBESRZSA-N
MW303.47 g/mol
LogP1.24
Rot. Bonds3

About 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane

1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane (PubChem CID 98757499) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane
PubChem CID98757499
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane
SMILESCCN1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1
InChIInChI=1S/C14H29N3O2S/c1-4-15-6-5-7-16(9-8-15)20(18,19)17-11-13(2)10-14(3)12-17/h13-14H,4-12H2,1-3H3/t13-,14-/m0/s1
InChIKeyMYDYOIGQCGZYBR-KBPBESRZSA-N
XLogP1.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
CID 55621429
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 128925402
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472325
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 25472328
1-(2-chloroethyl)-4-(4-methylpiperidin-1-yl)sulfonyl-1,4-diazepane
CID 63397037
[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanol
CID 43589679
2-[1-(3,5-dimethylpiperidin-1-yl)sulfonylpiperidin-3-yl]ethanol
CID 62358298
4-ethyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
CID 75483805
1,4-bis(pyrrolidin-1-ylsulfonyl)-1,4-diazepane
CID 39730535
1-(azetidin-1-ylsulfonyl)azetidine
CID 69400792

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane?
The IUPAC name of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane (CID 98757499) is 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane.
What is the SMILES notation for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane?
The canonical SMILES for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane is CCN1CCCN(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)CC1.
What is the InChIKey of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane?
The InChIKey is MYDYOIGQCGZYBR-KBPBESRZSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-4-15-6-5-7-16(9-8-15)20(18,19)17-11-13(2)10-14(3)12-17/h13-14H,4-12H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane?
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane has a molecular weight of 303.47 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-ethyl-1,4-diazepane is sourced from PubChem (CID 98757499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).