N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine

C14H28N2O2S — CID 65074347

IUPACN-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-8-16-9-3-4-13(5-10-16)15-14-6-11-19(17,18)12-7-14/h13-15H,2-12H2,1H3
InChIKeyVCTSEVPRGDTTCR-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.42
Rot. Bonds4

About N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine

N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine (PubChem CID 65074347) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
PubChem CID65074347
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCS(=O)(=O)CC2)CC1
InChIInChI=1S/C14H28N2O2S/c1-2-8-16-9-3-4-13(5-10-16)15-14-6-11-19(17,18)12-7-14/h13-15H,2-12H2,1H3
InChIKeyVCTSEVPRGDTTCR-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-1-ethylazepan-4-amine
CID 65074346
N-methyl-1-propylazepan-4-amine
CID 65072873
N-(3-methylcyclohexyl)-1-propylazepan-4-amine
CID 65074489
N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine
CID 61210849
N-(3,4-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65078643
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
1-N-(1-propylpiperidin-4-yl)cyclohexane-1,3-diamine
CID 79458358
N-(2,3-dimethylcyclohexyl)-1-propylazepan-4-amine
CID 65073049
N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936
N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
CID 65078150
4-(1-propylpiperidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 91401399
3-[(1-propylazepan-4-yl)amino]azepan-2-one
CID 65074113

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine (CID 65074347) is N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine is CCCN1CCCC(NC2CCS(=O)(=O)CC2)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine?
The InChIKey is VCTSEVPRGDTTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-2-8-16-9-3-4-13(5-10-16)15-14-6-11-19(17,18)12-7-14/h13-15H,2-12H2,1H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine?
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine has a molecular weight of 288.46 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine is sourced from PubChem (CID 65074347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).