1-oxothian-4-amine;hydrochloride

C5H12ClNOS — CID 71757968

IUPAC1-oxothian-4-amine;hydrochloride
SMILESCl.NC1CCS(=O)CC1
InChIInChI=1S/C5H11NOS.ClH/c6-5-1-3-8(7)4-2-5;/h5H,1-4,6H2;1H
InChIKeyMGKFRKPXZUOCCH-UHFFFAOYSA-N
MW169.68 g/mol
LogP0.28
Rot. Bonds

About 1-oxothian-4-amine;hydrochloride

1-oxothian-4-amine;hydrochloride (PubChem CID 71757968) has the molecular formula C5H12ClNOS and a molecular weight of 169.68 g/mol. Its IUPAC name is 1-oxothian-4-amine;hydrochloride.

Molecular Properties

Compound Name1-oxothian-4-amine;hydrochloride
PubChem CID71757968
Molecular FormulaC5H12ClNOS
Molecular Weight169.68 g/mol
Exact Mass169.03
IUPAC Name1-oxothian-4-amine;hydrochloride
SMILESCl.NC1CCS(=O)CC1
InChIInChI=1S/C5H11NOS.ClH/c6-5-1-3-8(7)4-2-5;/h5H,1-4,6H2;1H
InChIKeyMGKFRKPXZUOCCH-UHFFFAOYSA-N
XLogP0.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.68
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydrothiopyran-4-ylamine
CID 418807
4-Amino-1lambda6-thiane-1,1-dione hydrochloride
CID 518319
Thian-4-amine hydrochloride
CID 18331311
3-Amino-1$l^{6}-thiane-1,1-dione
CID 14024577
2H-Thiopyran-4-amine, tetrahydro-, 1,1-dioxide
CID 418808
3-aminotetrahydro-2H-thiopyran 1,1-dioxide hydrochloride
CID 54592845
3-Amino-1lambda4-thiolan-1-one hydrochloride
CID 54595889
4-Amino-2-methyl-1lambda6-thiane-1,1-dione hydrochloride
CID 132313727
4-(Methylamino)-1lambda4-thian-1-one hydrochloride
CID 54595219
4-Methanesulfinylbutan-2-amine hydrochloride
CID 54595490
Thian-3-amine hydrochloride
CID 119031857
4-Amino-1-imino-1lambda6-thian-1-one dihydrochloride
CID 155977735

Frequently Asked Questions

What is the IUPAC name of 1-oxothian-4-amine;hydrochloride?
The IUPAC name of 1-oxothian-4-amine;hydrochloride (CID 71757968) is 1-oxothian-4-amine;hydrochloride.
What is the SMILES notation for 1-oxothian-4-amine;hydrochloride?
The canonical SMILES for 1-oxothian-4-amine;hydrochloride is Cl.NC1CCS(=O)CC1.
What is the InChIKey of 1-oxothian-4-amine;hydrochloride?
The InChIKey is MGKFRKPXZUOCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.ClH/c6-5-1-3-8(7)4-2-5;/h5H,1-4,6H2;1H.
What are the key properties of 1-oxothian-4-amine;hydrochloride?
1-oxothian-4-amine;hydrochloride has a molecular weight of 169.68 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxothian-4-amine;hydrochloride is sourced from PubChem (CID 71757968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).