(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine

C10H14ClNOS — CID 126999806

IUPAC(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
SMILESClc1ccc(CN[C@H]2CCCOC2)s1
InChIInChI=1S/C10H14ClNOS/c11-10-4-3-9(14-10)6-12-8-2-1-5-13-7-8/h3-4,8,12H,1-2,5-7H2/t8-/m0/s1
InChIKeyQVPFNSAZHYUSIV-QMMMGPOBSA-N
MW231.75 g/mol
LogP2.67
Rot. Bonds3

About (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine

(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine (PubChem CID 126999806) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
PubChem CID126999806
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
SMILESClc1ccc(CN[C@H]2CCCOC2)s1
InChIInChI=1S/C10H14ClNOS/c11-10-4-3-9(14-10)6-12-8-2-1-5-13-7-8/h3-4,8,12H,1-2,5-7H2/t8-/m0/s1
InChIKeyQVPFNSAZHYUSIV-QMMMGPOBSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-pyridinyl)methyl]oxan-3-amine
CID 115906683
(3S)-N-(1,3-thiazol-5-ylmethyl)oxan-3-amine
CID 130891979
N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614830
N-[[5-(4-nitrophenyl)thiophen-2-yl]methyl]oxan-3-amine
CID 119124513
2-(5-chlorothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65331805
N-[(2-chloro-3-pyridinyl)methyl]oxan-3-amine
CID 115616389
1-[(5-chlorothiophen-2-yl)methyl]-3-(oxolan-3-yl)urea
CID 115758267
N-[(2-bromophenyl)methyl]oxan-3-amine
CID 63360139
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
2-chloro-4-[(oxan-3-ylamino)methyl]phenol
CID 63363487
(3R)-N-[(5-bromo-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 126987035
N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80706144

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine?
The IUPAC name of (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine (CID 126999806) is (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine.
What is the SMILES notation for (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine?
The canonical SMILES for (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine is Clc1ccc(CN[C@H]2CCCOC2)s1.
What is the InChIKey of (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine?
The InChIKey is QVPFNSAZHYUSIV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClNOS/c11-10-4-3-9(14-10)6-12-8-2-1-5-13-7-8/h3-4,8,12H,1-2,5-7H2/t8-/m0/s1.
What are the key properties of (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine?
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine has a molecular weight of 231.75 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine is sourced from PubChem (CID 126999806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).