N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine

C10H14ClNO2S2 — CID 43614830

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NCc2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClNO2S2/c11-10-2-1-9(15-10)7-12-8-3-5-16(13,14)6-4-8/h1-2,8,12H,3-7H2
InChIKeyPNJAJRDSSIAGQJ-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.07
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine

N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine (PubChem CID 43614830) has the molecular formula C10H14ClNO2S2 and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
PubChem CID43614830
Molecular FormulaC10H14ClNO2S2
Molecular Weight279.81 g/mol
Exact Mass279.02
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NCc2ccc(Cl)s2)CC1
InChIInChI=1S/C10H14ClNO2S2/c11-10-2-1-9(15-10)7-12-8-3-5-16(13,14)6-4-8/h1-2,8,12H,3-7H2
InChIKeyPNJAJRDSSIAGQJ-UHFFFAOYSA-N
XLogP2.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1,1-dioxothian-4-amine
CID 43614827
(3S)-N-[(5-chlorothiophen-2-yl)methyl]oxan-3-amine
CID 126999806
N-[(5-chlorothiophen-2-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80706144
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dioxothian-4-amine
CID 60941990
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
N-[(2-ethylphenyl)methyl]-1,1-dioxothian-4-amine
CID 62391393
N-[(5-chlorothiophen-2-yl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28675211
trans-(1R,2R)-N-[(5-chlorothiophen-2-yl)methyl]-2-methylcyclopropan-1-amine
CID 94428351
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47107220
N-(1,2-oxazol-3-ylmethyl)-1,1-dioxothian-4-amine
CID 81171423
1,1-dioxo-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]thian-4-amine
CID 43778670

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine (CID 43614830) is N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine is O=S1(=O)CCC(NCc2ccc(Cl)s2)CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine?
The InChIKey is PNJAJRDSSIAGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S2/c11-10-2-1-9(15-10)7-12-8-3-5-16(13,14)6-4-8/h1-2,8,12H,3-7H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine?
N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine has a molecular weight of 279.81 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1,1-dioxothian-4-amine is sourced from PubChem (CID 43614830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).