N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine

C8H13NOS — CID 131230047

IUPACN-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
SMILESCCC[C@H](NO)c1cccs1
InChIInChI=1S/C8H13NOS/c1-2-4-7(9-10)8-5-3-6-11-8/h3,5-7,9-10H,2,4H2,1H3/t7-/m0/s1
InChIKeyUUGVRCFQVJONQV-ZETCQYMHSA-N
MW171.27 g/mol
LogP2.57
Rot. Bonds4

About N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine

N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine (PubChem CID 131230047) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine.

Molecular Properties

Compound NameN-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
PubChem CID131230047
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC NameN-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine
SMILESCCC[C@H](NO)c1cccs1
InChIInChI=1S/C8H13NOS/c1-2-4-7(9-10)8-5-3-6-11-8/h3,5-7,9-10H,2,4H2,1H3/t7-/m0/s1
InChIKeyUUGVRCFQVJONQV-ZETCQYMHSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-thiophen-2-ylbutylcyanamide
CID 62481656
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148
2,2-difluoro-N-(1-thiophen-2-ylbutyl)acetamide
CID 103515707
N-(1-thiophen-2-ylbutyl)decan-1-amine
CID 63491380
5-methyl-N-(1-thiophen-2-ylbutyl)hexan-2-amine
CID 63456390
2-ethyl-2-[(1-thiophen-2-ylbutylamino)methyl]butan-1-ol
CID 81418518
2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
CID 114996883
2-bromo-N-(1-thiophen-2-ylbutyl)propanamide
CID 107904985
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
3-amino-3-sulfanylidene-N-(1-thiophen-2-ylbutyl)propanamide
CID 55134581
3-methyl-2-(1-thiophen-2-ylbutylamino)butanoic acid
CID 103244536

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine?
The IUPAC name of N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine (CID 131230047) is N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine.
What is the SMILES notation for N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine?
The canonical SMILES for N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine is CCC[C@H](NO)c1cccs1.
What is the InChIKey of N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine?
The InChIKey is UUGVRCFQVJONQV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NOS/c1-2-4-7(9-10)8-5-3-6-11-8/h3,5-7,9-10H,2,4H2,1H3/t7-/m0/s1.
What are the key properties of N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine?
N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine has a molecular weight of 171.27 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-thiophen-2-ylbutyl]hydroxylamine is sourced from PubChem (CID 131230047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).