2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine

C14H29NO2S — CID 62530439

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CNCC(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H29NO2S/c1-4-5-6-13(10-15-9-12(2)3)14-7-8-18(16,17)11-14/h12-15H,4-11H2,1-3H3
InChIKeyDWDBGFZZEFBWRB-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.47
Rot. Bonds8

About 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine

2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine (PubChem CID 62530439) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine
PubChem CID62530439
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCC(CNCC(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H29NO2S/c1-4-5-6-13(10-15-9-12(2)3)14-7-8-18(16,17)11-14/h12-15H,4-11H2,1-3H3
InChIKeyDWDBGFZZEFBWRB-UHFFFAOYSA-N
XLogP2.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
CID 63195777
2-(1,1-dioxothiolan-3-yl)-4-ethyl-N-propyloctan-1-amine
CID 62530642
2-(1,1-dioxothiolan-3-yl)-4-(2-methylpropylamino)butan-1-ol
CID 165476580
N-[2-(1,1-dioxothiolan-3-yl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-1-amine
CID 106705870
4-butoxy-2-(1,1-dioxothiolan-3-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62724977
N-[2-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropyl]-2-methylpropan-1-amine
CID 62528250
2-(1,1-dioxothiolan-3-yl)-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097119
2-(1,1-dioxothiolan-3-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 55083755
3-(cyclopropylmethoxy)-2-(1,1-dioxothiolan-3-yl)-N-propylpropan-1-amine
CID 106930577
2-(1,1-dioxothiolan-3-yl)-6-methoxy-N-methylhexan-1-amine
CID 113437124
N-hexan-2-yl-1,1-dioxothiolan-3-amine
CID 43757079
1-(1,1-dioxothiolan-3-yl)-4-methyl-N-propylpentan-1-amine
CID 113289799

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine (CID 62530439) is 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine is CCCCC(CNCC(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is DWDBGFZZEFBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-4-5-6-13(10-15-9-12(2)3)14-7-8-18(16,17)11-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine?
2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 275.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 62530439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).