N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride

C10H14ClNOS — CID 165496181

IUPACN-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
SMILESCC(C)(C)N(Cc1ccsc1)C(=O)Cl
InChIInChI=1S/C10H14ClNOS/c1-10(2,3)12(9(11)13)6-8-4-5-14-7-8/h4-5,7H,6H2,1-3H3
InChIKeyWGFWSJYYCLIOKP-UHFFFAOYSA-N
MW231.75 g/mol
LogP3.71
Rot. Bonds2

About N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride

N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride (PubChem CID 165496181) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride.

Molecular Properties

Compound NameN-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
PubChem CID165496181
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC NameN-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
SMILESCC(C)(C)N(Cc1ccsc1)C(=O)Cl
InChIInChI=1S/C10H14ClNOS/c1-10(2,3)12(9(11)13)6-8-4-5-14-7-8/h4-5,7H,6H2,1-3H3
InChIKeyWGFWSJYYCLIOKP-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
CID 79887165
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
tert-butyl N-[3-[methyl(thiophen-3-ylmethyl)carbamoyl]cyclopentyl]carbamate
CID 71991539
2-(ethylamino)-N,2-dimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 62831220
2-(tert-butylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 112723558
N-methyl-N-(thiophen-3-ylmethyl)cyclohexanecarboxamide
CID 39966819
2-ethyl-2-[methyl(thiophen-3-ylmethyl)amino]butanoic acid
CID 114991336
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
4,4-dimethyl-1-[methyl(thiophen-3-ylmethyl)amino]pentan-3-ol
CID 62624282

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride?
The IUPAC name of N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride (CID 165496181) is N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride.
What is the SMILES notation for N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride?
The canonical SMILES for N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride is CC(C)(C)N(Cc1ccsc1)C(=O)Cl.
What is the InChIKey of N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride?
The InChIKey is WGFWSJYYCLIOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-10(2,3)12(9(11)13)6-8-4-5-14-7-8/h4-5,7H,6H2,1-3H3.
What are the key properties of N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride?
N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride has a molecular weight of 231.75 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(thiophen-3-ylmethyl)carbamoyl chloride is sourced from PubChem (CID 165496181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).