(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride

C10H17Cl2NS — CID 171220112

IUPAC(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@H](N)c1ccc(Cl)s1.Cl
InChIInChI=1S/C10H16ClNS.ClH/c1-2-3-4-5-8(12)9-6-7-10(11)13-9;/h6-8H,2-5,12H2,1H3;1H/t8-;/m0./s1
InChIKeyVPHMDIDSKLPHKV-QRPNPIFTSA-N
MW254.23 g/mol
LogP4.40
Rot. Bonds5

About (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride

(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride (PubChem CID 171220112) has the molecular formula C10H17Cl2NS and a molecular weight of 254.23 g/mol. Its IUPAC name is (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
PubChem CID171220112
Molecular FormulaC10H17Cl2NS
Molecular Weight254.23 g/mol
Exact Mass253.05
IUPAC Name(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@H](N)c1ccc(Cl)s1.Cl
InChIInChI=1S/C10H16ClNS.ClH/c1-2-3-4-5-8(12)9-6-7-10(11)13-9;/h6-8H,2-5,12H2,1H3;1H/t8-;/m0./s1
InChIKeyVPHMDIDSKLPHKV-QRPNPIFTSA-N
XLogP4.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(1S)-1-(5-chlorothiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171220102
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
1-(5-methylthiophen-2-yl)octan-1-amine
CID 43125261
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
1-(5-chloro-4-methylthiophen-2-yl)dodecan-1-amine
CID 102763389
1-(5-bromo-4-chlorothiophen-2-yl)heptan-1-amine
CID 114752618
(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171200577
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-thiophen-2-yloctan-1-amine
CID 22115201

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride (CID 171220112) is (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride is CCCCC[C@H](N)c1ccc(Cl)s1.Cl.
What is the InChIKey of (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride?
The InChIKey is VPHMDIDSKLPHKV-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H16ClNS.ClH/c1-2-3-4-5-8(12)9-6-7-10(11)13-9;/h6-8H,2-5,12H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride?
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride has a molecular weight of 254.23 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171220112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).