N-ethyl-1-methylsulfonylazepan-3-amine

C9H20N2O2S — CID 121359011

IUPACN-ethyl-1-methylsulfonylazepan-3-amine
SMILESCCNC1CCCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-3-10-9-6-4-5-7-11(8-9)14(2,12)13/h9-10H,3-8H2,1-2H3
InChIKeyHBISVHMDNOQTFR-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.41
Rot. Bonds3

About N-ethyl-1-methylsulfonylazepan-3-amine

N-ethyl-1-methylsulfonylazepan-3-amine (PubChem CID 121359011) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonylazepan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonylazepan-3-amine
PubChem CID121359011
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-ethyl-1-methylsulfonylazepan-3-amine
SMILESCCNC1CCCCN(S(C)(=O)=O)C1
InChIInChI=1S/C9H20N2O2S/c1-3-10-9-6-4-5-7-11(8-9)14(2,12)13/h9-10H,3-8H2,1-2H3
InChIKeyHBISVHMDNOQTFR-UHFFFAOYSA-N
XLogP0.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-methylsulfonylpiperazin-1-yl)cyclohexan-1-amine
CID 79618505
1-(azepan-1-ylsulfonyl)-N-ethylpiperidin-4-amine
CID 60820122
4-(ethylamino)-1-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-ol
CID 79620255
N-[(5-ethylfuran-2-yl)methyl]-1-methylsulfonylpiperidin-3-amine
CID 75426807
N-[4-(ethylamino)cyclohexyl]piperidine-1-sulfonamide
CID 43653572
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
1-cyclopropyl-3-[(3R)-1-methylsulfonylpiperidin-3-yl]urea
CID 94211342
(3R)-N-cyclopentyl-1-methylsulfonylpiperidine-3-sulfonamide
CID 97348297
(3S)-1-ethylsulfonyl-N-methylpiperidin-3-amine
CID 94476004
2-methoxy-N-(1-methylsulfonylpiperidin-3-yl)acetamide
CID 47403795
N-[2-(1-methylsulfonylpiperidin-3-yl)ethyl]cyclopropanamine
CID 79612688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonylazepan-3-amine?
The IUPAC name of N-ethyl-1-methylsulfonylazepan-3-amine (CID 121359011) is N-ethyl-1-methylsulfonylazepan-3-amine.
What is the SMILES notation for N-ethyl-1-methylsulfonylazepan-3-amine?
The canonical SMILES for N-ethyl-1-methylsulfonylazepan-3-amine is CCNC1CCCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-ethyl-1-methylsulfonylazepan-3-amine?
The InChIKey is HBISVHMDNOQTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-3-10-9-6-4-5-7-11(8-9)14(2,12)13/h9-10H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1-methylsulfonylazepan-3-amine?
N-ethyl-1-methylsulfonylazepan-3-amine has a molecular weight of 220.34 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonylazepan-3-amine is sourced from PubChem (CID 121359011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).