N-(1-aminohexan-2-yl)thiolane-2-carboxamide

C11H22N2OS — CID 80698105

IUPACN-(1-aminohexan-2-yl)thiolane-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCCS1
InChIInChI=1S/C11H22N2OS/c1-2-3-5-9(8-12)13-11(14)10-6-4-7-15-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeySIJKPYMJDGMRNC-UHFFFAOYSA-N
MW230.38 g/mol
LogP1.52
Rot. Bonds6

About N-(1-aminohexan-2-yl)thiolane-2-carboxamide

N-(1-aminohexan-2-yl)thiolane-2-carboxamide (PubChem CID 80698105) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)thiolane-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)thiolane-2-carboxamide
PubChem CID80698105
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-(1-aminohexan-2-yl)thiolane-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCCS1
InChIInChI=1S/C11H22N2OS/c1-2-3-5-9(8-12)13-11(14)10-6-4-7-15-10/h9-10H,2-8,12H2,1H3,(H,13,14)
InChIKeySIJKPYMJDGMRNC-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-[(2R)-1-hydroxybutan-2-yl]thiolane-2-carboxamide
CID 103920134
N-(1-bromo-4-methylpentan-2-yl)thiane-2-carboxamide
CID 114311692
N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080965
N-(1-aminohexan-2-yl)-2-ethoxycyclopropane-1-carboxamide;hydrochloride
CID 119668699
2-N-propan-2-ylhexane-1,2-diamine
CID 62070850
N-(3-oxopentan-2-yl)thiane-2-carboxamide
CID 80593884
(2R)-2-(thiolane-2-carbonylamino)hexanedioic acid
CID 107831322
3-[(thiolane-2-carbonylamino)methyl]pentanoic acid
CID 81066125
3-(1-aminohexan-2-yl)-1,1-dimethylurea
CID 80697976
1-(thiolan-2-yl)dodecan-1-one
CID 65427493
N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119668568

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)thiolane-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)thiolane-2-carboxamide (CID 80698105) is N-(1-aminohexan-2-yl)thiolane-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)thiolane-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)thiolane-2-carboxamide is CCCCC(CN)NC(=O)C1CCCS1.
What is the InChIKey of N-(1-aminohexan-2-yl)thiolane-2-carboxamide?
The InChIKey is SIJKPYMJDGMRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-2-3-5-9(8-12)13-11(14)10-6-4-7-15-10/h9-10H,2-8,12H2,1H3,(H,13,14).
What are the key properties of N-(1-aminohexan-2-yl)thiolane-2-carboxamide?
N-(1-aminohexan-2-yl)thiolane-2-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)thiolane-2-carboxamide is sourced from PubChem (CID 80698105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).